(3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

C20H34N2O2 — CID 99805772

IUPAC(3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCC(N2C[C@@H](C(=O)N(C3CC3)[C@@H](C)C(C)C)CC2=O)CC1
InChIInChI=1S/C20H34N2O2/c1-13(2)15(4)22(18-9-10-18)20(24)16-11-19(23)21(12-16)17-7-5-14(3)6-8-17/h13-18H,5-12H2,1-4H3/t14?,15-,16-,17?/m0/s1
InChIKeyWTMWHMDDWDMIOU-YZUHTNEWSA-N
MW334.50 g/mol
LogP3.45
Rot. Bonds5

About (3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 99805772) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID99805772
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name(3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCC(N2C[C@@H](C(=O)N(C3CC3)[C@@H](C)C(C)C)CC2=O)CC1
InChIInChI=1S/C20H34N2O2/c1-13(2)15(4)22(18-9-10-18)20(24)16-11-19(23)21(12-16)17-7-5-14(3)6-8-17/h13-18H,5-12H2,1-4H3/t14?,15-,16-,17?/m0/s1
InChIKeyWTMWHMDDWDMIOU-YZUHTNEWSA-N
XLogP3.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 99775238
2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119209014
2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119172024
(3R)-N,1-dicyclopropyl-N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 97096733
1-[4-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690671
(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 95280942
2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
CID 54946145
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 78858369
(2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119364518
N-(3-amino-2-methylpropyl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119997130
(3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95353422

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (CID 99805772) is (3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is CC1CCC(N2C[C@@H](C(=O)N(C3CC3)[C@@H](C)C(C)C)CC2=O)CC1.
What is the InChIKey of (3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WTMWHMDDWDMIOU-YZUHTNEWSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-13(2)15(4)22(18-9-10-18)20(24)16-11-19(23)21(12-16)17-7-5-14(3)6-8-17/h13-18H,5-12H2,1-4H3/t14?,15-,16-,17?/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 334.50 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 99805772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).